CID 159985177

C3H6NaO2 — CID 159985177

IUPAC—
SMILESCOC(C)=O.[Na]
InChIInChI=1S/C3H6O2.Na/c1-3(4)5-2;/h1-2H3;
InChIKeyOGFZEDMIYDGMQJ-UHFFFAOYSA-N
MW97.07 g/mol
LogP-0.20
Rot. Bonds

About CID 159985177

CID 159985177 (PubChem CID 159985177) has the molecular formula C3H6NaO2 and a molecular weight of 97.07 g/mol.

Molecular Properties

Compound NameCID 159985177
PubChem CID159985177
Molecular FormulaC3H6NaO2
Molecular Weight97.07 g/mol
Exact Mass97.03
IUPAC Name—
SMILESCOC(C)=O.[Na]
InChIInChI=1S/C3H6O2.Na/c1-3(4)5-2;/h1-2H3;
InChIKeyOGFZEDMIYDGMQJ-UHFFFAOYSA-N
XLogP-0.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 159985177?
The IUPAC name of CID 159985177 (CID 159985177) is not available.
What is the SMILES notation for CID 159985177?
The canonical SMILES for CID 159985177 is COC(C)=O.[Na].
What is the InChIKey of CID 159985177?
The InChIKey is OGFZEDMIYDGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Na/c1-3(4)5-2;/h1-2H3;.
What are the key properties of CID 159985177?
CID 159985177 has a molecular weight of 97.07 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159985177 is sourced from PubChem (CID 159985177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).